CID 4048512

2-chloro-n-(pentan-2-yl)acetamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCCC(C)NC(=O)CCl

InChI

InChI=1S/C7H14ClNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)

InChIKey

HPHVAPYQLXDAKA-UHFFFAOYSA-N

Compound name

2-chloro-N-pentan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.07639 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.083666	136.2
[M+Na]+	186.065608	142.8
[M-H]-	162.069114	136.3
[M+NH4]+	181.110213	157.5
[M+K]+	202.039548	140.8
[M+H-H2O]+	146.073650	132.3
[M+HCOO]-	208.074591	154.6
[M+CH3COO]-	222.090241	180.9
[M+Na-2H]-	184.051056	139.9
[M]+	163.07584142	138.2
[M]-	163.07693858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe